SCHEMBL3312336

SCHEMBL3312336

COc1ncccc1-c1cccc2c1CCC(N(C)C)C2

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.62
DRD2 P14416 2/20 0.62
HTR7 P34969 16/20 0.59
DRD4 P21917 1/20 0.59
DRD3 P35462 1/20 0.59
CHRM5 P08912 1/20 0.54
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
HTR3A P46098 1/20 0.54
HTR5A P47898 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
HPGD P15428 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL338366 0.81 DRD2 (0.59) HTR1ADRD2HTR7DRD4DRD3
SCHEMBL3318321 0.80 HTR1A (0.81) HTR1ADRD2HTR7DRD4DRD3
SCHEMBL338365 0.80 CYP19A1 (0.47) HTR1ADRD2HTR7DRD3SIGMAR1
SCHEMBL3311285 0.75 HTR1A (0.71) HTR1AHTR7
SCHEMBL3315701 0.74 DRD2 (1.00) HTR1ADRD2HTR7DRD4DRD3
SCHEMBL26690460 0.74 DRD2 (1.00) HTR1ADRD2HTR7DRD4DRD3
SCHEMBL9945842 0.74 HTR1A (1.00) HTR1ADRD2HTR7DRD4DRD3
SCHEMBL23425387 0.74 HTR1A (1.00) HTR1AHTR7
SCHEMBL17274574 0.74 HTR1A (1.00) HTR1AHTR7
SCHEMBL30831827 0.74 HTR1A (1.00) HTR1AHTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105684-A1 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US claimed
EP-2142511-A2 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-01-13 EP claimed
WO-2008116663-A2 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-10-02 WO claimed
US-8236845-B2 Heterocyclyl-substituted-tetrahydro-naphthalen-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-08-07 US disclosed
US-8236845-B2 Heterocyclyl-substituted-tetrahydro-naphthalen-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-08-07 US disclosed
US-8236845-B2 Heterocyclyl-substituted-tetrahydro-naphthalen-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-08-07 US disclosed
US-20100105684-A1 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US disclosed
US-20100105684-A1 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US disclosed
US-20100105684-A1 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US disclosed
EP-2142511-A2 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-01-13 EP disclosed
WO-2008116663-A2 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-10-02 WO disclosed
WO-2008116663-A2 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-10-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100105684-A1 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS HNMT, NNT, NQO1 HTR1A 308/4885DRD2 1527/4885HTR7 158/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.